SCHEMBL4373434

SCHEMBL4373434

O=C(O)CCNC(=O)c1csc(NC(=O)N(C2CCCCC2)C2CCCCC2)n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
RAB9A P51151 1/20 0.38
DHFR P00374 1/20 0.37
EGFR P00533 1/20 0.37
ACKR3 P25106 1/20 0.37
ACHE P22303 2/20 0.37
RAD52 P43351 1/20 0.36
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
EGLN2 Q96KS0 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NPC1 O15118 1/20 0.35
TSHR P16473 1/20 0.35
GAA P10253 1/20 0.35
CCKBR P32239 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2606491 0.90 SMN1; SMN2 (0.42) SMN1; SMN2RAB9ADHFREGFRL3MBTL1
SCHEMBL4370345 0.88 SMN1; SMN2 (0.44) SMN1; SMN2RAB9ADHFREGFRACHE
SCHEMBL998735 0.83 L3MBTL1 (0.52) SMN1; SMN2RAB9AL3MBTL1ALDH1A1TSHR
SCHEMBL999303 0.83 SMN1; SMN2 (0.45) SMN1; SMN2RAB9ADHFREGFRACHE
SCHEMBL1001793 0.81 GCK (0.45) SMN1; SMN2RAB9AITGB3ITGA2BEGLN2
SCHEMBL1002363 0.80 SMN1; SMN2 (0.42) SMN1; SMN2RAB9ADHFREGFRL3MBTL1
SCHEMBL1002364 0.80 SMN1; SMN2 (0.42) SMN1; SMN2RAB9ADHFREGFRL3MBTL1
SCHEMBL16136774 0.80 SMN1; SMN2 (0.43) SMN1; SMN2RAB9ADHFREGFRL3MBTL1
SCHEMBL2606477 0.78 CNR1 (0.47) SMN1; SMN2RAB9AALDH1A1NPC1GAA
SCHEMBL998640 0.76 SMN1; SMN2 (0.71) SMN1; SMN2RAB9AEGFRALDH1A1NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598391-B2 Heteroaryl-ureas and their use as glucokinase activators NOVO NORDISK A/S (DK) 2009-10-06 US disclosed